SCHEMBL6428940

SCHEMBL6428940

CCN1CCCC1CN(CC1CCCCC1)c1nc(N)nc(Nc2cnc(OC)c(F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.38
PIK3R1 P27986 5/20 0.38
MTOR P42345 4/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5549889 0.86 GALR1 (0.45) PIK3CA
SCHEMBL6233417 0.85 GALR1 (0.38)
SCHEMBL6429807 0.85 HTT (0.39)
SCHEMBL5553491 0.82 GALR1 (0.46) PIK3CA
SCHEMBL6427917 0.81 PIK3CD (0.31) PIK3CD
SCHEMBL6233857 0.81 PIK3CA (0.41) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL6430113 0.80 VNN1 (0.33) PIK3CAMTOR
SCHEMBL6229485 0.79 GALR1 (0.41) PIK3CA
SCHEMBL6233437 0.79 GALR1 (0.46)
SCHEMBL5029329 0.79 GALR1 (0.42) PIK3CAPIK3R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS PIK3CA 2359/4885PIK3R1 1081/4885MTOR 671/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 PIK3CA 2731/4885PIK3R1 1175/4885MTOR 590/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.